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Full LogCC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeHomePatch.o -c src/ComputeHomePatch.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeHomePatches.o -c src/ComputeHomePatches.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeImpropers.o -c src/ComputeImpropers.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeGlobal.o -c src/ComputeGlobal.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeGlobalMsgs.o -c src/ComputeGlobalMsgs.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeGridForce.o -c src/ComputeGridForce.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMgr.o -c src/ComputeMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedSelf.o -c src/ComputeNonbondedSelf.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedPair.o -c src/ComputeNonbondedPair.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedUtil.o -c src/ComputeNonbondedUtil.C
In file included from src/ComputeNonbondedCUDA.C:13:0:
src/ComputeNonbondedCUDAKernel.h:8:17: warning: extra tokens at end of #undef directive
#undef __align__(X)
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedCUDA.o -c src/ComputeNonbondedCUDA.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedCUDAExcl.o -c src/ComputeNonbondedCUDAExcl.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeNonbondedMIC.o -c src/ComputeNonbondedMIC.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputePatch.o -c src/ComputePatch.C
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from src/ComputePmeCUDA.h:12,
from src/ComputeMgr.C:57:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDA.h:12:0,
from src/ComputeMgr.C:57:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from src/DataExchanger.h:12:0,
from src/colvarproxy_namd.h:24,
from src/GlobalMasterColvars.h:7,
from src/ComputeMgr.C:98:
inc/DataExchanger.decl.h:863:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/DataExchanger.h:61:5: note: in expansion of macro 'DataExchanger_SDAG_CODE'
DataExchanger_SDAG_CODE;
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputePatchPair.o -c src/ComputePatchPair.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputePme.o -c src/ComputePme.C
In file included from src/ComputePme.C:76:0:
src/ComputePmeCUDAKernel.h:4:17: warning: extra tokens at end of #undef directive
#undef __align__(X)
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputePmeCUDA.o -c src/ComputePmeCUDA.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputePmeCUDAMgr.o -c src/ComputePmeCUDAMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/OptPme.o -c src/OptPme.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeRestraints.o -c src/ComputeRestraints.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeSphericalBC.o -c src/ComputeSphericalBC.C
In file included from src/ComputePme.C:36:0:
inc/ComputePmeMgr.decl.h:1731:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePme.C:4600:5: note: in expansion of macro 'PmeYPencil_SDAG_CODE'
PmeYPencil_SDAG_CODE
^
inc/ComputePmeMgr.decl.h:2219:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePme.C:4663:5: note: in expansion of macro 'PmeXPencil_SDAG_CODE'
PmeXPencil_SDAG_CODE
^
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from src/ComputePmeCUDA.h:12,
from src/ComputePmeCUDA.C:10:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/ComputePmeCUDAMgr.C:14:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDA.h:12:0,
from src/ComputePmeCUDA.C:10:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/ComputePmeCUDAMgr.C:14:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from inc/ComputePmeCUDAMgr.decl.h:7:0,
from src/ComputePmeCUDAMgr.h:9,
from src/ComputePmeCUDAMgr.C:14:
inc/CudaPmeSolver.decl.h:1258:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:86:2: note: in expansion of macro 'CudaPmePencilXY_SDAG_CODE'
CudaPmePencilXY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:1911:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:114:2: note: in expansion of macro 'CudaPmePencilX_SDAG_CODE'
CudaPmePencilX_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:2715:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:142:2: note: in expansion of macro 'CudaPmePencilY_SDAG_CODE'
CudaPmePencilY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:3517:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:177:2: note: in expansion of macro 'CudaPmePencilZ_SDAG_CODE'
CudaPmePencilZ_SDAG_CODE
^
In file included from inc/OptPmeMgr.decl.h:7:0,
from src/OptPme.h:21,
from src/OptPme.C:28:
inc/PmeFFTLib.decl.h:1442:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/fftlib.h:144:5: note: in expansion of macro 'OptPmeYPencil_SDAG_CODE'
OptPmeYPencil_SDAG_CODE
^
inc/PmeFFTLib.decl.h:2048:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/fftlib.h:174:5: note: in expansion of macro 'OptPmeXPencil_SDAG_CODE'
OptPmeXPencil_SDAG_CODE
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeStir.o -c src/ComputeStir.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeTclBC.o -c src/ComputeTclBC.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeThole.o -c src/ComputeThole.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Controller.o -c src/Controller.C
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_wrapmode(ClientData, Tcl_Interp*, int, char**)':
src/ComputeTclBC.C:145:21: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
TCL_VOLATILE);
^
src/ComputeTclBC.C:156:21: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_cleardrops(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:166:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_dropatom(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:179:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:184:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_nextatom(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:196:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcoord(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:236:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:241:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcell(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:272:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getmass(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:315:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:320:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcharge(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:332:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:337:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getid(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:349:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:354:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_addforce(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:366:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:378:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"force not a vector",TCL_VOLATILE);
^
src/ComputeTclBC.C:384:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_addenergy(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:398:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:404:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"energy not a number",TCL_VOLATILE);
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/CudaComputeNonbonded.o -c src/CudaComputeNonbonded.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/CudaPmeSolver.o -c src/CudaPmeSolver.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/DeviceCUDA.o -c src/DeviceCUDA.C
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/CudaPmeSolver.C:5:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/CudaPmeSolver.C:5:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from inc/ComputePmeCUDAMgr.decl.h:7:0,
from src/ComputePmeCUDAMgr.h:9,
from src/CudaPmeSolver.C:5:
inc/CudaPmeSolver.decl.h:1258:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:86:2: note: in expansion of macro 'CudaPmePencilXY_SDAG_CODE'
CudaPmePencilXY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:1911:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:114:2: note: in expansion of macro 'CudaPmePencilX_SDAG_CODE'
CudaPmePencilX_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:2715:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:142:2: note: in expansion of macro 'CudaPmePencilY_SDAG_CODE'
CudaPmePencilY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:3517:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:177:2: note: in expansion of macro 'CudaPmePencilZ_SDAG_CODE'
CudaPmePencilZ_SDAG_CODE
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/DumpBench.o -c src/DumpBench.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMaster.o -c src/GlobalMaster.C
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/CudaComputeNonbonded.C:18:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/CudaComputeNonbonded.C:18:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterServer.o -c src/GlobalMasterServer.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterIMD.o -c src/GlobalMasterIMD.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterTcl.o -c src/GlobalMasterTcl.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterSMD.o -c src/GlobalMasterSMD.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterTMD.o -c src/GlobalMasterTMD.C
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_atomid(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:44:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:58:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"atom not found",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addatom(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:74:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addgroup(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:100:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_reconfig(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:150:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_clearconfig(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:163:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_getstep(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:176:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:190:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_enabletotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:261:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_disabletotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:274:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadtotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:289:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:296:91: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"must call enabletotalforces before loadtotalforces",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadcoords(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:361:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadmasses(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:419:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addforce(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:464:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:483:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"force not a vector",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:491:72: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"requested group not available",TCL_VOLATILE);
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterSymmetry.o -c src/GlobalMasterSymmetry.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterFreeEnergy.o -c src/GlobalMasterFreeEnergy.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterEasy.o -c src/GlobalMasterEasy.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GlobalMasterMisc.o -c src/GlobalMasterMisc.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/colvarproxy_namd.o -c src/colvarproxy_namd.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GridForceGrid.o -c src/GridForceGrid.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/HomePatch.o -c src/HomePatch.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/LdbCoordinator.o -c src/LdbCoordinator.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/LJTable.o -c src/LJTable.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Measure.o -c src/Measure.C
src/Measure.C: In function 'int Tcl_loadCoords(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/Measure.C:114:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"loadCoords: wrong # args",TCL_VOLATILE);
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/MigrateAtomsMsg.o -c src/MigrateAtomsMsg.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Molecule.o -c src/Molecule.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Molecule2.o -c src/Molecule2.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/GoMolecule.o -c src/GoMolecule.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/MoleculeQM.o -c src/MoleculeQM.C
src/Molecule.C: In member function 'void Molecule::read_mol_signatures(char*, Parameters*, ConfigList*)':
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
char *tmpstr[]={"RIGID_NONE", "RIGID_ALL", "RIGID_WATER"};
^
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/NamdCentLB.o -c src/NamdCentLB.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/NamdNborLB.o -c src/NamdNborLB.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/NamdHybridLB.o -c src/NamdHybridLB.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/NamdDummyLB.o -c src/NamdDummyLB.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/NamdState.o -c src/NamdState.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Node.o -c src/Node.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Output.o -c src/Output.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Patch.o -c src/Patch.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/PatchMgr.o -c src/PatchMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/PatchMap.o -c src/PatchMap.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/PmeKSpace.o -c src/PmeKSpace.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ProxyMgr.o -c src/ProxyMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ProxyPatch.o -c src/ProxyPatch.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ScriptTcl.o -c src/ScriptTcl.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/WorkDistrib.o -c src/WorkDistrib.C
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o psfgen obj/tcl_main.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -L.rootdir/tcl/lib -ltcl8.5 -ldl -lm
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o sortreplicas obj/sortreplicas.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -lm
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_python(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:356:57: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"python not enabled",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_startup(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:365:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numPes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:405:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numNodes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:414:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numPhysicalNodes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:423:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numReplicas(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:432:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_myReplica(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:441:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaEval(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:461:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: dest script",TCL_VOLATILE);
^
src/ScriptTcl.C:450:63: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"negative replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:465:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(dest);
^
src/ScriptTcl.C:454:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"non-existent replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:465:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(dest);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaYield(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:485:56: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: ?seconds?",TCL_VOLATILE);
^
src/ScriptTcl.C:491:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: ?seconds?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaSendrecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:507:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: data dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaSend(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:536:56: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: data dest",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaRecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:549:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: source",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaBarrier(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:570:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomSendrecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:583:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:587:75: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:592:70: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad dest; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:598:74: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad source; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomSend(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:641:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:645:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: dest",TCL_VOLATILE);
^
src/ScriptTcl.C:650:61: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad dest; args: dest",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomRecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:678:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:682:70: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:688:69: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad source; args: ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_stdout(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:725:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:801:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C:816:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:826:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:853:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:861:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:866:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:876:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:884:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:888:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C:892:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:896:64: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bug in Tcl_istrue_param",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:906:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:914:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:924:79: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:930:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter name too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:942:86: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter unknown for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:951:91: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitvels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:970:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_rescalevels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:987:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_run(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1004:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1008:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1017:46: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not norepeat",TCL_VOLATILE);
^
src/ScriptTcl.C:1027:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1032:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1036:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1040:107: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"run called with minimization enabled; use minimize command instead",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_minimize(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1066:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1074:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1079:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1083:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_moveallby(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1108:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C:1120:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_move(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1139:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1147:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"syntax is 'move <id> to|by {<x> <y> <z>}'",TCL_VOLATILE);
^
src/ScriptTcl.C:1157:68: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"third argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_output(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1185:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1189:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1194:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"file name too long",TCL_VOLATILE);
^
src/ScriptTcl.C:1207:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not withforces or onlyforces",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_measure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1246:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarbias(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1273:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1278:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C:1290:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"energydiff requires a previous timestep",TCL_VOLATILE);
^
src/ScriptTcl.C:1302:69: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown colvarbias operation",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarvalue(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1315:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1320:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarfreq(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1366:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1371:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvars(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1388:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpoint(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1413:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_revert(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1427:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpointReplica(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1452:74: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1461:76: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1467:115: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for checkpointing on other replicas",TCL_VOLATILE);
^
src/ScriptTcl.C:450:63: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"negative replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:454:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"non-existent replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:1485:100: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"checkpointStore/Load/Swap/Free called via unrecognized name",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaDcdFile(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1495:94: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaDcdFile not supported in memory-optimized builds",TCL_VOLATILE);
^
src/ScriptTcl.C:1503:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <index>|off ?<filename>?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_callback(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1520:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitatoms(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1554:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMoa.o -c src/ComputeMoa.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMsm.o -c src/ComputeMsm.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/main.o -c src/main.C
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reloadStructure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1907:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown structure",TCL_VOLATILE);
^
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from inc/main.decl.h:109,
from src/WorkDistrib.C:30:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from inc/main.decl.h:109:0,
from src/WorkDistrib.C:30:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
rm -f obj/buildinfo.C; echo 'const char *namd_build_date = ' \"`date`\"\; > obj/buildinfo.C; echo 'const char *namd_build_user = ' \"bwjenkins\"\; >> obj/buildinfo.C; echo 'const char *namd_build_machine = ' \"`hostname`\"\; >> obj/buildinfo.C; cat obj/buildinfo.C; CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/buildinfo.o -c obj/buildinfo.C
const char *namd_build_date = "Fri Mar 9 09:52:57 CST 2018";
const char *namd_build_user = "bwjenkins";
const char *namd_build_machine = "h2ologin3";
.rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmc -verbose -ld++-option \
'-I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer' \
-module NeighborLB -module HybridLB -module RefineLB -module GreedyLB -module CkMulticast -module CkLoop -language charm++ \
obj/buildinfo.o \
obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o \
obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o \
-lcudart -lcufft -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/lib64 -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -L/opt/cray/nvidia/default/lib64 -lcuda \
\
\
\
-L.rootdir/tcl/lib -ltcl8.5 -ldl \
\
-L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -lfftw3f \
obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o \
obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o \
\
\
-lm -o namd2
Verbose mode set
Adding file obj/buildinfo.o...
Adding file obj/ComputeMoa.o...
Adding file obj/ComputeMsm.o...
Adding file obj/ComputeMsmMsa.o...
Adding file obj/ComputeMsmSerial.o...
Adding file obj/ComputeFmmSerial.o...
Adding file obj/msm.o...
Adding file obj/msm_longrng.o...
Adding file obj/msm_longrng_sprec.o...
Adding file obj/msm_setup.o...
Adding file obj/msm_shortrng.o...
Adding file obj/msm_shortrng_sprec.o...
Adding file obj/wkfutils.o...
Adding file obj/common.o...
Adding file obj/dcdlib.o...
Adding file obj/eabf1D.o...
Adding file obj/eabf2D.o...
Adding file obj/eabffunc.o...
Adding file obj/eabfTcl.o...
Adding file obj/erf.o...
Adding file obj/fitrms.o...
Adding file obj/main.o...
Adding file obj/mainfunc.o...
Adding file obj/memusage.o...
Adding file obj/strlib.o...
Adding file obj/AlgSeven.o...
Adding file obj/AlgRecBisection.o...
Adding file obj/AlgNbor.o...
Adding file obj/AtomMap.o...
Adding file obj/BackEnd.o...
Adding file obj/BroadcastMgr.o...
Adding file obj/BroadcastClient.o...
Adding file obj/CollectionMaster.o...
Adding file obj/CollectionMgr.o...
Adding file obj/Communicate.o...
Adding file obj/Compute.o...
Adding file obj/ComputeAngles.o...
Adding file obj/ComputeAniso.o...
Adding file obj/ComputeBonds.o...
Adding file obj/ComputeConsForce.o...
Adding file obj/ComputeConsForceMsgs.o...
Adding file obj/ComputeCrossterms.o...
Adding file obj/ComputeCUDAMgr.o...
Adding file obj/ComputeCylindricalBC.o...
Adding file obj/ComputeDihedrals.o...
Adding file obj/ComputeDPME.o...
Adding file obj/ComputeDPMEMsgs.o...
Adding file obj/ComputeDPMTA.o...
Adding file obj/ComputeEField.o...
Adding file obj/ComputeEwald.o...
Adding file obj/ComputeExt.o...
Adding file obj/ComputeQM.o...
Adding file obj/ComputeGBISser.o...
Adding file obj/ComputeGBIS.o...
Adding file obj/ComputeGromacsPair.o...
Adding file obj/ComputeLCPO.o...
Adding file obj/ComputeFullDirect.o...
Adding file obj/ComputeHomePatch.o...
Adding file obj/ComputeHomePatches.o...
Adding file obj/ComputeImpropers.o...
Adding file obj/ComputeGlobal.o...
Adding file obj/ComputeGlobalMsgs.o...
Adding file obj/ComputeGridForce.o...
Adding file obj/ComputeMap.o...
Adding file obj/ComputeMgr.o...
Adding file obj/ComputeNonbondedSelf.o...
Adding file obj/ComputeNonbondedPair.o...
Adding file obj/ComputeNonbondedUtil.o...
Adding file obj/ComputeNonbondedStd.o...
Adding file obj/ComputeNonbondedFEP.o...
Adding file obj/ComputeNonbondedGo.o...
Adding file obj/ComputeNonbondedTI.o...
Adding file obj/ComputeNonbondedLES.o...
Adding file obj/ComputeNonbondedPProf.o...
Adding file obj/ComputeNonbondedTabEnergies.o...
Adding file obj/ComputeNonbondedCUDA.o...
Adding file obj/ComputeNonbondedCUDAExcl.o...
Adding file obj/ComputeNonbondedMIC.o...
Adding file obj/ComputeNonbondedMICKernel.o...
Adding file obj/ComputePatch.o...
Adding file obj/ComputePatchPair.o...
Adding file obj/ComputePme.o...
Adding file obj/ComputePmeCUDA.o...
Adding file obj/ComputePmeCUDAMgr.o...
Adding file obj/OptPme.o...
Adding file obj/OptPmeRealSpace.o...
Adding file obj/ComputeRestraints.o...
Adding file obj/ComputeSphericalBC.o...
Adding file obj/ComputeStir.o...
Adding file obj/ComputeTclBC.o...
Adding file obj/ComputeThole.o...
Adding file obj/ConfigList.o...
Adding file obj/Controller.o...
Adding file obj/CudaComputeNonbonded.o...
Adding file obj/CudaPmeSolver.o...
Adding file obj/CudaPmeSolverUtil.o...
Adding file obj/CudaUtils.o...
Adding file obj/ccsinterface.o...
Adding file obj/DataStream.o...
Adding file obj/DeviceCUDA.o...
Adding file obj/DumpBench.o...
Adding file obj/FreeEnergyAssert.o...
Adding file obj/FreeEnergyGroup.o...
Adding file obj/FreeEnergyLambda.o...
Adding file obj/FreeEnergyLambdMgr.o...
Adding file obj/FreeEnergyParse.o...
Adding file obj/FreeEnergyRestrain.o...
Adding file obj/FreeEnergyRMgr.o...
Adding file obj/FreeEnergyVector.o...
Adding file obj/fstream_namd.o...
Adding file obj/GlobalMaster.o...
Adding file obj/GlobalMasterServer.o...
Adding file obj/GlobalMasterTest.o...
Adding file obj/GlobalMasterIMD.o...
Adding file obj/GlobalMasterTcl.o...
Adding file obj/GlobalMasterSMD.o...
Adding file obj/GlobalMasterTMD.o...
Adding file obj/Matrix4Symmetry.o...
Adding file obj/GlobalMasterSymmetry.o...
Adding file obj/GlobalMasterFreeEnergy.o...
Adding file obj/GlobalMasterEasy.o...
Adding file obj/GlobalMasterMisc.o...
Adding file obj/colvar.o...
Adding file obj/colvaratoms.o...
Adding file obj/colvarbias.o...
Adding file obj/colvarbias_abf.o...
Adding file obj/colvarbias_alb.o...
Adding file obj/colvarbias_histogram.o...
Adding file obj/colvarbias_meta.o...
Adding file obj/colvarbias_restraint.o...
Adding file obj/colvarcomp.o...
Adding file obj/colvarcomp_angles.o...
Adding file obj/colvarcomp_coordnums.o...
Adding file obj/colvarcomp_distances.o...
Adding file obj/colvarcomp_protein.o...
Adding file obj/colvarcomp_rotations.o...
Adding file obj/colvardeps.o...
Adding file obj/colvargrid.o...
Adding file obj/colvarmodule.o...
Adding file obj/colvarparse.o...
Adding file obj/colvarproxy_namd.o...
Adding file obj/colvarscript.o...
Adding file obj/colvartypes.o...
Adding file obj/colvarvalue.o...
Adding file obj/GridForceGrid.o...
Adding file obj/GromacsTopFile.o...
Adding file obj/heap.o...
Adding file obj/HomePatch.o...
Adding file obj/IMDOutput.o...
Adding file obj/InfoStream.o...
Adding file obj/LdbCoordinator.o...
Adding file obj/LJTable.o...
Adding file obj/Measure.o...
Adding file obj/MGridforceParams.o...
Adding file obj/MStream.o...
Adding file obj/MigrateAtomsMsg.o...
Adding file obj/Molecule.o...
Adding file obj/Molecule2.o...
Adding file obj/GoMolecule.o...
Adding file obj/MoleculeQM.o...
Adding file obj/NamdCentLB.o...
Adding file obj/NamdNborLB.o...
Adding file obj/NamdHybridLB.o...
Adding file obj/NamdDummyLB.o...
Adding file obj/NamdState.o...
Adding file obj/NamdOneTools.o...
Adding file obj/Node.o...
Adding file obj/Output.o...
Adding file obj/Parameters.o...
Adding file obj/ParseOptions.o...
Adding file obj/Patch.o...
Adding file obj/PatchMgr.o...
Adding file obj/PatchMap.o...
Adding file obj/PDB.o...
Adding file obj/PDBData.o...
Adding file obj/PmeKSpace.o...
Adding file obj/PmeRealSpace.o...
Adding file obj/PmeSolver.o...
Adding file obj/ProcessorPrivate.o...
Adding file obj/ProxyMgr.o...
Adding file obj/ProxyPatch.o...
Adding file obj/Rebalancer.o...
Adding file obj/RecBisection.o...
Adding file obj/ReductionMgr.o...
Adding file obj/RefineOnly.o...
Adding file obj/RefineTorusLB.o...
Adding file obj/ScriptTcl.o...
Adding file obj/Sequencer.o...
Adding file obj/Set.o...
Adding file obj/Settle.o...
Adding file obj/SimParameters.o...
Adding file obj/SortAtoms.o...
Adding file obj/Sync.o...
Adding file obj/TclCommands.o...
Adding file obj/TorusLB.o...
Adding file obj/WorkDistrib.o...
Adding file obj/pub3dfft.o...
Adding file obj/vmdsock.o...
Adding file obj/parm.o...
Adding file obj/imd.o...
Adding file obj/CompressPsf.o...
Adding file obj/PluginIOMgr.o...
Adding file obj/DataExchanger.o...
Adding file obj/ParallelIOMgr.o...
Adding file obj/ComputeNonbondedCUDAKernel.o...
Adding file obj/ComputePmeCUDAKernel.o...
Adding file obj/CudaComputeGBISKernel.o...
Adding file obj/CudaComputeNonbondedKernel.o...
Adding file obj/CudaPmeSolverUtilKernel.o...
Adding file obj/CudaTileListKernel.o...
Adding file obj/DeviceCUDAkernel.o...
Adding file obj/dcdplugin.o...
Adding file obj/jsplugin.o...
Adding file obj/namdbinplugin.o...
Adding file obj/pdbplugin.o...
Adding file obj/psfplugin.o...
Adding file obj/tcl_psfgen.o...
Adding file obj/charmm_file.o...
Adding file obj/charmm_parse_topo_defs.o...
Adding file obj/extract_alias.o...
Adding file obj/hash.o...
Adding file obj/hasharray.o...
Adding file obj/memarena.o...
Adding file obj/pdb_file.o...
Adding file obj/pdb_file_extract.o...
Adding file obj/psf_file.o...
Adding file obj/psf_file_extract.o...
Adding file obj/topo_defs.o...
Adding file obj/topo_mol.o...
Adding file obj/topo_mol_output.o...
Adding file obj/topo_mol_pluginio.o...
Adding file obj/stringhash.o...
OpenMP support not enabled
charmc> ----------- Module dependency search ------------
charmc> ----------- Module dependency search complete ------------
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -D__CHARMC__=1 -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -U_FORTIFY_SOURCE -std=c++0x -c moduleinit30077.C -o moduleinit30077.o
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -rdynamic -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/lib64 -L/opt/cray/nvidia/default/lib64 -L.rootdir/tcl/lib -L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -o namd2 -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit30077.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
Adding registration for module NeighborLB
Adding registration for module HybridLB
Adding registration for module RefineLB
Adding registration for module GreedyLB
Adding registration for module CkMulticast
Adding registration for module CkLoop
charmc> All libraries are: -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit30077.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc: Executing rm -f charmrun
charmc: Executing cp -p .rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmrun charmrun
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
rm -f moduleinit30077.C moduleinit30077.o
/mnt/a/u/system/bwjenkins/namd-spp/namd-spp-1.0
1 #!/bin/bash
2 #PBS -V
3 #PBS -j oe
4 #PBS -o $PBS_JOBID/pbs.out
5 #PBS -N NAMD
6 #PBS -l walltime=1:00:00
7 #PBS -l nodes=100:ppn=32:xe
8 ##PBS -q debug
9
10 cd $PBS_O_WORKDIR
11
12 mkdir $PBS_JOBID
13 cd $PBS_JOBID
14
15 execfile=$PBS_O_WORKDIR/namd2-cpu
16 inputfile=$PBS_O_WORKDIR/chromat100/chromat100-bench.namd
17 logfile=$PBS_JOBID
18
19 export NAMDNSTEPS=2000
20 export NAMDOUTDIR="${PBS_O_WORKDIR}/${PBS_JOBID}"
21
22 source ${MODULESHOME}/init/bash
23 module swap PrgEnv-cray PrgEnv-gnu
24 module load rca
25 module load craype-hugepages8M
26 module list
27
28 export HUGETLB_DEFAULT_PAGE_SIZE=8M
29 export HUGETLB_MORECORE=no
30 export ATP_ENABLED=1
31 ulimit -c unlimited
32
33 export APRUN_BALANCED_INJECTION=32
34
35 sleep 60
36 echo Starting at `date`
37
38 aprun -n 400 -N 4 -d 8 $execfile +ppn 7 +pemap 1-7,9-15,17-23,25-31 +commap 0,8,16,24 $inputfile >& $logfile
39
40 echo Ending at `date`
41 sleep 60
42
INFO: Job submitted to account: jnc
MYJOBID=8294433.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
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qstat: Unknown Job Id Error 8294433.bw
8294433.bw finished
Info: ENERGY OUTPUT STEPS 200
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946
ENERGY: 0 862368.3646 20606396.3109 1749214.6220 152022.8999 -370808357.2695 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7981 296.9741 -312942286.0150 -243190413.0876 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 876381.1257 20899264.8875 1750228.6132 153532.5013 -370519587.7744 34390929.7889 0.0000 0.0000 68917289.8898 -243531960.9678 295.7236 -312449250.8577 -242980193.7609 295.6391 -135.2286 -20.3966 979800495.3020 0.8574 0.8538
ENERGY: 400 877528.0048 20928250.9461 1749561.4163 153225.6982 -370513987.1164 34410983.4631 0.0000 0.0000 68955495.4416 -243438942.1463 295.8875 -312394437.5879 -242884200.3370 295.8651 -123.0590 -8.1686 979810931.4646 1.3172 1.3173
ENERGY: 600 874974.8204 20954469.2252 1749676.0479 153084.8807 -370522017.0541 34432298.3836 0.0000 0.0000 68985741.4570 -243371772.2393 296.0173 -312357513.6963 -242815570.6425 295.9766 -109.0178 5.5427 979708792.6974 1.0909 1.0931
ENERGY: 800 874457.3531 20966764.6902 1749878.3873 153058.3472 -370539267.3485 34479445.5869 0.0000 0.0000 69003570.6085 -243312092.3753 296.0938 -312315662.9838 -242756024.9381 296.0815 -85.5790 29.1011 979670770.7467 0.9103 0.9208
ENERGY: 1000 875544.3213 20974437.2859 1750939.2792 152926.8303 -370517761.5812 34473742.7318 0.0000 0.0000 69015620.9092 -243274550.2235 296.1455 -312290171.1327 -242717555.3582 296.1744 -85.5363 29.3469 979603900.7473 0.6280 0.6228
ENERGY: 1200 877783.0895 20973440.2812 1750677.5863 153101.8207 -370427290.3006 34401725.1853 0.0000 0.0000 69037123.0980 -243233439.2395 296.2378 -312270562.3375 -242675422.9062 296.2251 -119.1114 -4.1754 979809557.6155 1.0361 1.0389
ENERGY: 1400 877739.0056 20988194.1296 1751300.5063 153345.6058 -370419394.4540 34396534.8139 0.0000 0.0000 69049024.2146 -243203256.1781 296.2889 -312252280.3927 -242644940.7800 296.2834 -119.6782 -5.0631 979852090.9708 1.3399 1.3467
ENERGY: 1600 876170.5810 20999224.3937 1751821.4003 153694.6114 -370412016.8395 34402252.1073 0.0000 0.0000 69055244.0076 -243173609.7381 296.3155 -312228853.7457 -242614896.5315 296.3354 -108.4468 6.3358 979774857.2044 0.9781 0.9753
ENERGY: 1800 875972.7040 20991609.6970 1751425.2651 153493.7524 -370450942.5995 34443784.4574 0.0000 0.0000 69064638.8288 -243170017.8947 296.3559 -312234656.7235 -242611651.1930 296.3821 -92.3741 22.6750 979669911.3743 0.7543 0.7592
ENERGY: 2000 876598.7383 20996536.5557 1751519.3192 153371.1228 -370446926.7504 34434753.7901 0.0000 0.0000 69063414.7991 -243170732.4251 296.3506 -312234147.2242 -242612308.9388 296.3964 -99.6236 15.5821 979729722.1525 0.8332 0.8287
1 YVALUE= 1414.788086
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins1336921426214727811.sh
+ rm -rf /var/lib/jenkins/workspace/namd-spp/wallclock.txt
+ scp 'BW_REMOTE:~/namd-spp/wallclock.txt' /var/lib/jenkins/workspace/namd-spp
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Blue Waters Admin Team
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/namd-spp/wallclock.txt
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
